[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone

C12H17BrN2O2 — CID 120810041

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone
SMILESCc1cc(Br)oc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C12H17BrN2O2/c1-8-5-9(13)17-10(8)11(16)15-4-3-12(2,6-14)7-15/h5H,3-4,6-7,14H2,1-2H3
InChIKeyMQJCMOHJHRVJHZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.16
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone (PubChem CID 120810041) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone
PubChem CID120810041
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone
SMILESCc1cc(Br)oc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C12H17BrN2O2/c1-8-5-9(13)17-10(8)11(16)15-4-3-12(2,6-14)7-15/h5H,3-4,6-7,14H2,1-2H3
InChIKeyMQJCMOHJHRVJHZ-UHFFFAOYSA-N
XLogP2.16
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 120809881
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 120805049
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone;hydrochloride
CID 120806286
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 120808782
2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one;hydrochloride
CID 120810034
(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 56814055
1-(5-ethyl-3-methylfuran-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 126790611
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 120806775

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone (CID 120810041) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone is Cc1cc(Br)oc1C(=O)N1CCC(C)(CN)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone?
The InChIKey is MQJCMOHJHRVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-5-9(13)17-10(8)11(16)15-4-3-12(2,6-14)7-15/h5H,3-4,6-7,14H2,1-2H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone has a molecular weight of 301.18 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone is sourced from PubChem (CID 120810041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).